1-Benzyl-5-(Hydroxymethyl)-6,8-Dimethyl-2,3,4-Trithia-6,8-Diazabicyclo[3.2.2]Nonane-7,9-Dione

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Formula C14H16N2O3S3
IUPAC Name (1s,5s)-1-benzyl-5-(hydroxymethyl)-7,9-dimethyl-2,3,4-trithia-7,9-diazabicyclo[3.2.2]nonane-6,8-dione
Molecular Mass 356.483 g·mol−1
Heat of Formation -341.1 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 378.26 Å 3
Surface Area 295.35 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
InChIKey AHWKVWYCCGUYET-KBPBESRZSA-N
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